2-methoxy-3-(2-methylphenyl)prop-2-enoic acid

C11H12O3 — CID 130704139

IUPAC2-methoxy-3-(2-methylphenyl)prop-2-enoic acid
SMILESCOC(=Cc1ccccc1C)C(=O)O
InChIInChI=1S/C11H12O3/c1-8-5-3-4-6-9(8)7-10(14-2)11(12)13/h3-7H,1-2H3,(H,12,13)
InChIKeyFKLYKUFRLGJWOI-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.07
Rot. Bonds3

About 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid

2-methoxy-3-(2-methylphenyl)prop-2-enoic acid (PubChem CID 130704139) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2-methylphenyl)prop-2-enoic acid
PubChem CID130704139
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-methoxy-3-(2-methylphenyl)prop-2-enoic acid
SMILESCOC(=Cc1ccccc1C)C(=O)O
InChIInChI=1S/C11H12O3/c1-8-5-3-4-6-9(8)7-10(14-2)11(12)13/h3-7H,1-2H3,(H,12,13)
InChIKeyFKLYKUFRLGJWOI-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-methoxy-2-(2-methylphenyl)ethenol
CID 135049956
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid
CID 88641659
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
CID 171485584
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 10867868
(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954371
ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
CID 12904653

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid?
The IUPAC name of 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid (CID 130704139) is 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid?
The canonical SMILES for 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid is COC(=Cc1ccccc1C)C(=O)O.
What is the InChIKey of 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid?
The InChIKey is FKLYKUFRLGJWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-5-3-4-6-9(8)7-10(14-2)11(12)13/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid?
2-methoxy-3-(2-methylphenyl)prop-2-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 130704139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).